7-(1H-inden-2-yl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(1H-inden-2-yl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1H-inden-2-yl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1H-inden-2-yl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1H-inden-2-yl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1H-inden-2-yl)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H25N4O+ MolecularWeight: 421.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CN3C4=NC=CC=N4)C=C(C=C2)C5=CC6=CC=CC=C6C5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CN3C4=NC=CC=N4)C=C(C=C2)C5=CC6=CC=CC=C6C5

InChI

InChI=1S/C27H24N4O/c1-2-6-21-16-23(15-20(21)5-1)22-8-9-26-24(17-22)18-30(13-14-32-26)19-25-7-3-12-31(25)27-28-10-4-11-29-27/h1-12,15,17H,13-14,16,18-19H2/p+1